6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole

C16H15BrN2O — CID 69134260

IUPAC6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole
SMILESCc1nc2c(OCc3ccccc3)cc(Br)cc2n1C
InChIInChI=1S/C16H15BrN2O/c1-11-18-16-14(19(11)2)8-13(17)9-15(16)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyROOGMVHRUZDOPZ-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.22
Rot. Bonds3

About 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole

6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole (PubChem CID 69134260) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole.

Molecular Properties

Compound Name6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole
PubChem CID69134260
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole
SMILESCc1nc2c(OCc3ccccc3)cc(Br)cc2n1C
InChIInChI=1S/C16H15BrN2O/c1-11-18-16-14(19(11)2)8-13(17)9-15(16)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyROOGMVHRUZDOPZ-UHFFFAOYSA-N
XLogP4.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole?
The IUPAC name of 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole (CID 69134260) is 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole.
What is the SMILES notation for 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole?
The canonical SMILES for 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole is Cc1nc2c(OCc3ccccc3)cc(Br)cc2n1C.
What is the InChIKey of 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole?
The InChIKey is ROOGMVHRUZDOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-18-16-14(19(11)2)8-13(17)9-15(16)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole?
6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole has a molecular weight of 331.21 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2-dimethyl-4-phenylmethoxybenzimidazole is sourced from PubChem (CID 69134260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).